ChemSpider 2D Image | 1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-1-propanone | C22H28N8O2S

1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-1-propanone

  • Molecular FormulaC22H28N8O2S
  • Average mass468.575 Da
  • Monoisotopic mass468.205597 Da
  • ChemSpider ID35035955
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-1-propanon [German] [ACD/IUPAC Name]
1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-1-propanone [ACD/IUPAC Name]
1-[(3S)-3-{[4-(4-Morpholinylméthyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-1-propanone [French] [ACD/IUPAC Name]
1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]propan-1-One
1-Propanone, 1-[(3S)-3-[[4-(4-morpholinylmethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino]-1-pyrrolidinyl]- [ACD/Index Name]
1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]prop-2-En-1-One
G5K

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 707.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.708
Molar Refractivity: 129.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.92
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 52.84
Polar Surface Area: 137 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 82.0±3.0 dyne/cm
Molar Volume: 332.4±3.0 cm3

Click to predict properties on the Chemicalize site